N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide

C19H18F3NO4 — CID 175009727

IUPACN-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(C)=O)c(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO4/c1-12(24)16-8-7-15(26-2)11-17(16)27-10-9-23-18(25)13-3-5-14(6-4-13)19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyCGDLXIMDZRMACK-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 175009727) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID175009727
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC NameN-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(C)=O)c(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO4/c1-12(24)16-8-7-15(26-2)11-17(16)27-10-9-23-18(25)13-3-5-14(6-4-13)19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyCGDLXIMDZRMACK-UHFFFAOYSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
1-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 82001830
2-(2,5-dimethoxyphenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 78892262
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803100
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide (CID 175009727) is N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide is COc1ccc(C(C)=O)c(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CGDLXIMDZRMACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-12(24)16-8-7-15(26-2)11-17(16)27-10-9-23-18(25)13-3-5-14(6-4-13)19(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 381.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 175009727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).